4-Pentylbenzoic acid
TL;DR: 4-Pentylbenzoic acid (CAS 26311-45-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentylbenzoic acid
Also Known As: 4-Pentylbenzoic acid, Benzoic acid, 4-pentyl-, 4-Amylbenzoic acid, 4-n-Pentylbenzoic acid, p-Pentylbenzoic acid
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 26311-45-5 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)O |
| InChIKey | CWYNKKGQJYAHQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentylbenzoic acid (CAS 26311-45-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4-pentylbenzoic acid.
Chemical Property Profile of 4-Pentylbenzoic acid
Property Insights of 4-Pentylbenzoic acid
The XLogP value of 4.5 indicates that 4-Pentylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Pentylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentylbenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Pentylbenzoic acid?
The CAS number of 4-Pentylbenzoic acid is 26311-45-5.
What is the molecular formula of 4-Pentylbenzoic acid?
The molecular formula of 4-Pentylbenzoic acid is C12H16O2.
What is the molecular weight of 4-Pentylbenzoic acid?
The molecular weight of 4-Pentylbenzoic acid is 192.12 g/mol.
Where can I buy 4-Pentylbenzoic acid?
You can request a quote for 4-Pentylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.